Results 121 to 130 of about 37,292 (264)

pharmacophore

Citation: 'pharmacophore' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.11485 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Covalent drug discovery: Progress against key targets, emerging strategies and lessons learnt

British Journal of Pharmacology, EarlyView.
Abstract Covalent drug discovery is currently experiencing a boom in industrial and academic interest. To date, at least 75 covalent drugs have received regulatory approval, targeting both traditional target classes and more challenging proteins for which other approaches failed. In many cases, unique aspects of covalent targeting are essential for the
Charles P. Brown, Alan Armstrong, David J. Mann   +2 more
wiley   +1 more source

Multivalent antibody‐based conjugates as new tools for tailored modulation of G protein–coupled receptors

British Journal of Pharmacology, EarlyView.
The G protein–coupled receptor (GPCR) superfamily consists of the most common targets of approved drugs. Targeting GPCRs offers appealing avenues for therapeutic development. Antibodies and their fragments, such as single‐domain antibodies (VHHs or nanobodies), have emerged as useful alternatives to small molecule pharmacophores as building blocks in ...
Shivani Sachdev, Ross W. Cheloha
wiley   +1 more source

Functional screen for subtype specificity of voltage sensor–targeted Kv7 potentiators

British Journal of Pharmacology, EarlyView.
Background and Purpose Voltage‐gated Kv7 (potassium channel subfamily Q [KCNQ]) potassium channels are powerful modulators of neuronal excitability. ICA‐069673 is a N‐aryl benzamide drug that targets the voltage‐sensing domain (VSD) of Kv7.2 with strong selectivity over Kv7.3 or Kv7.5, but the molecular basis of this selectivity remains poorly ...
Richard Kanyo, Thomas M. Hammond, Alice W. Wang, Caroline K. Wang, Varun Aggarwal, Shawn M. Lamothe, Harley T. Kurata   +6 more
wiley   +1 more source

Optimization of novel compounds using computer‐aided drug design for treatment of cardiac arrhythmia

British Journal of Pharmacology, EarlyView.
Background and Purpose Loss‐of‐function mutations of the voltage‐gated Kv7.1 (KCNQ/KCNE1) channels lead to cardiac arrhythmia such as long QT syndrome, characterized by a prolonged QT interval . One strategy to correct the prolonged QT interval is to design molecules that activate KCNQ1/KCNE1 channels and restore the QT interval.
Jessica Jowais, Laura M. Castro‐Gonzalez, Alessia Golluscio, D. Peter Tieleman, H. Peter Larsson   +4 more
wiley   +1 more source

Pharmacophore models.

, 2013
(A), Left panel, Structure-based pharmacophore generated from the Mg++ loaded ERK8/ADP complex (coordinates were taken from the refined ERK8 structure) by using the Ligandscout software.
Mattia Mori (103397), David Colecchia (103402), Maurizio Botta (103410), Angela Strambi (103393), Francesca Carlomagno (103407), Matteo Rossi (103399), Fabrizio Manetti (103405), Mario Chiariello (103412)   +7 more
core   +1 more source

Peripheral κ opioid receptor in pain and inflammation: From molecular signalling and gene expression to drug discovery

British Journal of Pharmacology, EarlyView.
The κ opioid receptor (κ receptor, KOR) is a G protein‐coupled receptor with well established roles in analgesia and immune modulation. Although historically studied primarily in the central nervous system (CNS), growing evidence indicates that κ signalling in peripheral tissues plays an important role in regulating pain, inflammation and immune ...
Rumsha Khan, Elena C. A. Becker, Boglarka B. Bata, Christian W. Gruber   +3 more
wiley   +1 more source

Reversible Small Molecule Inhibitors of MAO A and MAO B with Anilide Motifs

Drug Design, Development and Therapy, 2020
Jens Hagenow,1 Stefanie Hagenow,1 Kathrin Grau,1 Mohammad Khanfar,1– 3 Lena Hefke,4 Ewgenij Proschak,4 Holger Stark1 1Heinrich Heine University Düsseldorf, Institute of Pharmaceutical and Medicinal Chemistry, Duesseldorf 40225, Germany ...
Hagenow J, Hagenow S, Grau K, Khanfar M, Hefke L, Proschak E, Stark H   +6 more
doaj  

A Curcumin‐Derived HSP70 Inhibitor Disrupts Lysosomal Function to Suppress Triple‐Negative Breast Cancer Progression

Cell Proliferation, EarlyView.
Novel curcumin‐derived M4 binds HSP70's ATPase domain, disrupting HSP70‐mediated lysosomes‐autophagy pathway to inhibit TNBC growth and metastasis, and synergizes with paclitaxel for potent combination therapy. ABSTRACT Structural modification of curcumin yielded a novel series of 1,4‐pentadien‐3‐one oxime ether derivatives, among which compound M4 ...
Zijian Li, Wanxia Wang, Yuxin Zhou, Tao Zeng, Jian Liu, Yingjie Qing, Xuan Han   +6 more
wiley   +1 more source

PEG400 regulates Falcipain 2 activity through an allosteric mechanism

The FEBS Journal, EarlyView.
Falcipain‐2 can potentially be leveraged as a drug target due to its critical role as a haemoglobinase during the intra‐erythrocytic stage of Plasmodium falciparum. Here, we investigate the regulation of the proteolytic and haemoglobinase activity of falcipain‐2 in the presence of polyethylene glycol.
Bikram Nath, Subhoja Chakraborty, Sampa Biswas   +2 more
wiley   +1 more source